CID 131751629

Methyl (z)-5-(1-propynyl)-2-thienylacrylate

Structural Information

Molecular Formula
C11H10O2S
SMILES
CC#CC1=CC=C(S1)/C=C\C(=O)OC
InChI
InChI=1S/C11H10O2S/c1-3-4-9-5-6-10(14-9)7-8-11(12)13-2/h5-8H,1-2H3/b8-7-
InChIKey
XXSPOWNRZKCIRF-FPLPWBNLSA-N
Compound name
methyl (Z)-3-(5-prop-1-ynylthiophen-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.04015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04743 141.1
[M+Na]+ 229.02937 151.4
[M+NH4]+ 224.07397 145.5
[M+K]+ 245.00331 142.4
[M-H]- 205.03287 134.0
[M+Na-2H]- 227.01482 142.4
[M]+ 206.03960 140.0
[M]- 206.04070 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.